[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C25H23NO8S MolecularWeight: 497.51702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H23NO8S/c1-16-7-8-17(2)23(11-16)35(29,30)34-20-6-4-3-5-19(20)25(28)31-14-24(27)26-13-18-9-10-21-22(12-18)33-15-32-21/h3-12H,13-15H2,1-2H3,(H,26,27)